Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4487866 | 0.82 | ADRB2 (0.33) | PTGS2FFAR4ALDH1A1HSD17B10MAPK1 | |
| Tert-Butyl Formate SCHEMBL27794875 | 0.79 | TDP1 (0.46) | TDP1PPARGPPARAALDH1A1MAPT | |
| Biphenyl SCHEMBL27794837 | 0.78 | TDP1 (0.62) | TDP1PTGS2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28035672 | 0.78 | S1PR1 (0.33) | TDP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL28035600 | 0.78 | CSNK2A1 (0.34) | TDP1MEN1KMT2A | |
| SCHEMBL29278360 | 0.77 | ALDH1A1 (0.44) | TDP1PTGS2CYP2C9ALDH1A1MAPT | |
| SCHEMBL5068618 | 0.77 | ALDH1A1 (0.37) | PTGS2ALDH1A1MITFMAPTHTT | |
| Tert-Butyl Formate SCHEMBL28032597 | 0.77 | TDP1 (0.59) | TDP1CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL18297950 | 0.76 | HSD11B1 (0.37) | PTGS2CYP2C9CYP2C19PPARGPPARD | |
| Acetaldehyde SCHEMBL27656697 | 0.76 | TRPA1 (0.41) | TDP1PTGS2ALDH1A1NPSR1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105330541-B | The synthetic method of the alkyl formate of 4 ' halogenated methyl biphenyl 2 | 常州博世伟业生物科技有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-105330541-A | Synthesis method of 4'-halogenated methylbiphenyl-2-formic aid alkyl ester | CHANGZHOU BOSHI WEIYE BIOTECHNOLOGY CO LTD | 2016-02-17 | — | — | CN | disclosed |